tridecanal

• ChemBase ID: 112152
• Molecular Formular: C13H26O
• Molecular Mass: 198.34494
• Monoisotopic Mass: 198.19836545
• SMILES: CCCCCCCCCCCCC=O
• Canonical SMILES: CCCCCCCCCCCCC=O
• InChI: InChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3
• InChIKey: BGEHHAVMRVXCGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tridecanal
• IUPAC Traditional name: tridecanal
• Synonyms: n-TRIDECANAL; Tridecyl aldehyde; Tridecanal; 十三碳醛; 三癸醛; 十三醛

Database IDs

• CAS Number: 10486-19-8
• EC Number: 234-004-0
• MDL Number: MFCD00007018
• PubChem SID: 24902066; 24856319; 162097281
• PubChem CID: 25311
• FEMA ID: 4335

CALCULATED PROPERTIES

• Acid pKa: 17.785515
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.7642603
• LogD (pH = 7.4): 4.7642603
• Log P: 4.7642603
• Molar Refractivity: 62.3552 cm^3
• Polarizability: 24.77089 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 14-15°C
• Boiling Point: 132-136 °C/8 mmHg(lit.); 280°C
• Flash Point: >113 °C; >235.4 °F; 132°C(269°F)
• Density: 0.83; 0.835 g/mL at 25 °C(lit.)
• Refractive Index: 1.4384; n20/D 1.438(lit.)

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; 36/38
• Safety Statements: 26; 26-37-60
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280G-P305+P351+P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: 2-8°C

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥95%; 90%; 96%, stab.
• Grade: Halal; Kosher; technical grade
• Contains: 0.50% alpha tocopherols; 0.50% alpha-tocopherol, synthetic as antioxidant
• Linear Formula: CH3(CH2)11CHO

DETAILS

MP Biomedicals - 05222750

MP Biomedicals Rare Chemical collection

Sigma Aldrich - W433500

Packaging
1 sample in glass bottle
100 g in glass bottle

Sigma Aldrich - 269239

Packaging
1, 5 g in glass bottle